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2-[2-(3-chloro-6-methyl-benzo[b]thiophen-2-yl)-2-oxo-ethyl]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 5XiftK8Gmks
InChI InChI=1S/C22H21ClO3S2/c1-3-26-22(25)19-13-6-4-5-7-16(13)27-18(19)11-15(24)21-20(23)14-9-8-12(2)10-17(14)28-21/h8-10H,3-7,11H2,1-2H3
InChIKey QWAVYMSOPIVWQR-UHFFFAOYSA-N
Mol Weight 432.98 g/mol
Molecular Formula C22H21ClO3S2
Exact Mass 432.062065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnMILsLiI95
Name 2-[2-(3-chloro-6-methyl-benzo[b]thiophen-2-yl)-2-oxo-ethyl]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClO3S2
InChI InChI=1S/C22H21ClO3S2/c1-3-26-22(25)19-13-6-4-5-7-16(13)27-18(19)11-15(24)21-20(23)14-9-8-12(2)10-17(14)28-21/h8-10H,3-7,11H2,1-2H3
InChIKey QWAVYMSOPIVWQR-UHFFFAOYSA-N
Molecular Weight 432.980 g/mol
SMILES C(Cc1sc2CCCCc2c1C(OCC)=O)(=O)c1sc2cc(ccc2c1Cl)C
SPLASH splash10-0a4i-4690100000-5add811f2abff445fe2d
Synonyms Ethyl 2-[2-(3-chloro-6-methyl-1-benzothien-2-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1438327